N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine

C18H17BrN2O — CID 169487736

IUPACN-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H17BrN2O/c1-3-22-15-7-8-17-16(11-15)18(9-12(2)20-17)21-14-6-4-5-13(19)10-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyLKPLGKZHFCZALW-UHFFFAOYSA-N
MW357.25 g/mol
LogP5.45
Rot. Bonds4

About N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine

N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine (PubChem CID 169487736) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
PubChem CID169487736
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC NameN-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
SMILESCCOc1ccc2nc(C)cc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H17BrN2O/c1-3-22-15-7-8-17-16(11-15)18(9-12(2)20-17)21-14-6-4-5-13(19)10-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyLKPLGKZHFCZALW-UHFFFAOYSA-N
XLogP5.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.25
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
CID 169487796
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride
CID 52994929
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
3-[(6-bromo-2-methylquinolin-4-yl)amino]benzonitrile
CID 110435723
N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
CID 169487705
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine (CID 169487736) is N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine is CCOc1ccc2nc(C)cc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine?
The InChIKey is LKPLGKZHFCZALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-3-22-15-7-8-17-16(11-15)18(9-12(2)20-17)21-14-6-4-5-13(19)10-14/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine?
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine has a molecular weight of 357.25 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 169487736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).